5-(3-Bromophenyl)-1H-1,2,4-triazole

Name: 5-(3-Bromophenyl)-1H-1,2,4-triazole
Brand: ChemScene
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CAS No. 342617-08-7
Cat. No. CS-0060391
Purity≥97%
MDL No.MFCD18087726

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FedEx Limited Quantities Ground	$0.00
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5-(3-Bromophenyl)-1H-1,2,4-triazole|CS-0060391

Structure of 342617-08-7

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Description

5-(3-Bromophenyl)-1H-1,2,4-triazole features a brominated phenyl group attached to the triazole core, delivering enhanced electron-withdrawing character and improved synthetic versatility. This bench-stable heterocycle integrates readily into pharmaceutical intermediates and functional materials, offering predictable reactivity in cross-coupling and metal-mediated transformations under standard conditions.

Application

5-(3-Bromophenyl)-1H-1,2,4-triazole serves as a versatile building block for constructing bioactive heterocycles, enabling palladium-catalyzed cross-coupling reactions with broad functional group tolerance. The bromo substituent facilitates efficient C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the triazole core provides metabolic stability and hydrogen-bonding capacity. Bench-stable and readily purified by recrystallization, it functions as a reliable scaffold in medicinal chemistry and materials science applications.

General Information

CAS No. 342617-08-7
Cat. No. CS-0060391
Purity ≥97%
MDL No. MFCD18087726
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrN₃
Molecular Weight 224.06
Synonym(s) 3-(3-Bromophenyl)-4H-1,2,4-triazole
SMILES C1=CC(=CC(=C1)Br)C2=NNC=N2

Computational Chemistry Data

TPSA 41.57
LogP 2.2342
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-(3-Bromophenyl)-1H-1,2,4-triazole

CAS No. 342617-08-7

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